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NNC 55-0396 100mg

CAT: 0628-A15188-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A15188-100Size:100 mg
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CAS Number
357400-13-6

Chemical Information

Nnc-55-0396

NNC 55-0396 dihydrochloride is the dihydrochloride salt of NNC 55-0396. It is a stable analogue of mibefradil and a highly selective T-type calcium channel blocker. It has a role as a T-type calcium channel blocker, an antineoplastic agent, an angiogenesis inhibitor, a potassium channel blocker, a neuroprotective agent and an apoptosis inducer. It contains a NNC 55-0396 (free base).

CAS Number357400-13-6
PubChem CID22084904
IUPAC Name[(1S,2S)-2-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] cyclopropanecarboxylate;dihydrochloride
Molecular FormulaC30H40Cl2FN3O2
Molecular Weight564.6
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count38
Formal Charge0
Complexity746
SMILES
CC(C)[C@H]1C2=C(CC[C@@]1(CCN(C)CCCC3=NC4=CC=CC=C4N3)OC(=O)C5CC5)C=C(C=C2)F.Cl.Cl
InChI
InChI=1S/C30H38FN3O2.2ClH/c1-20(2)28-24-13-12-23(31)19-22(24)14-15-30(28,36-29(35)21-10-11-21)16-18-34(3)17-6-9-27-32-25-7-4-5-8-26(25)33-27;;/h4-5,7-8,12-13,19-21,28H,6,9-11,14-18H2,1-3H3,(H,32,33);2*1H/t28-,30-;;/m0../s1
InChIKey
BCCQNBXHUMKLFW-HNQRYHMESA-N
Chemical Structure
2D Structure
2D structure of Nnc-55-0396
CAS: 357400-13-6
CID: 22084904
Formula: C30H40Cl2FN3O2
MW: 564.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight564.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass563.2481611
Monoisotopic Mass563.2481611
Topological Polar Surface Area58.2 Ų
Heavy Atom Count38
Formal Charge0
Complexity746
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS3840909-01NNC 55-0396
GTR19269052-01(Rac) -NNC 55-0396
526807NNC 55-0396 HCl
256008NNC 55-0396 dihydrochloride
N632008NNC 55-0396 (Racemic Mixture)
T82621-01D359-0396
JH16845655
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6111110CellVita 55
KFD15948-01MZP-55

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